N-(2,4,5-trifluorophenyl)propanamide

C9H8F3NO — CID 63372836

IUPACN-(2,4,5-trifluorophenyl)propanamide
SMILESCCC(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3NO/c1-2-9(14)13-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyIIOHTGMPCBWHHA-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.45
Rot. Bonds2

About N-(2,4,5-trifluorophenyl)propanamide

N-(2,4,5-trifluorophenyl)propanamide (PubChem CID 63372836) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-(2,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2,4,5-trifluorophenyl)propanamide
PubChem CID63372836
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-(2,4,5-trifluorophenyl)propanamide
SMILESCCC(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3NO/c1-2-9(14)13-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyIIOHTGMPCBWHHA-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
2-bromo-N-(2,4,5-trifluorophenyl)acetamide
CID 63678606
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
ethyl 2-[2,4-difluoro-5-(propanoylamino)phenyl]sulfanylpropanoate
CID 139689608
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(3,4-difluorophenyl)propanamide
CID 4285365
2-(aminomethyl)-2-ethyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62815380
2-(2-hydroxyphenyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80741188
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 104936943

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluorophenyl)propanamide?
The IUPAC name of N-(2,4,5-trifluorophenyl)propanamide (CID 63372836) is N-(2,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for N-(2,4,5-trifluorophenyl)propanamide?
The canonical SMILES for N-(2,4,5-trifluorophenyl)propanamide is CCC(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of N-(2,4,5-trifluorophenyl)propanamide?
The InChIKey is IIOHTGMPCBWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-2-9(14)13-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of N-(2,4,5-trifluorophenyl)propanamide?
N-(2,4,5-trifluorophenyl)propanamide has a molecular weight of 203.16 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 63372836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).